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CAS 102-14-7 4-Anilino-4-oxobutanoic Acid molecular structure lightbox
CAS RN: 102-14-7

4-Anilino-4-oxobutanoic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-003170
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 102-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

102-14-7 / 4-anilino-4-oxobutanoic acid

4-Anilino-4-oxobutanoic acid | Succinanilic acid | 4-Oxo-4-(phenylamino)butanoic acid

Standard CAS: 102-14-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102-14-7
Multi CAS
Yes
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
C1=CC=C(C=C1)NC(=O)CCC(=O)O
InChI
InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKey
KTFGFGGLCMGYTP-UHFFFAOYSA-N
Synonyms
4-Anilino-4-oxobutanoic acid Succinanilic acid 4-Oxo-4-(phenylamino)butanoic acid N-Phenylsuccinamic acid Succinic monoanilide

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.94
TPSA
66.4

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
0.6
Consensus LogP
1.13
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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